1XLV
Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-12-19 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 154.587, 154.587, 126.706 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.247 |
R-factor | 0.18618 |
Rwork | 0.183 |
R-free | 0.24662 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1poi |
RMSD bond length | 0.018 |
RMSD bond angle | 1.744 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.247 | 2.247 |
Number of reflections | 31580 | |
<I/σ(I)> | 32.2 | 3.3 |
Completeness [%] | 86.1 | 91.1 |
Redundancy | 7.8 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | AMMONIUM SULFATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |